2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

C23H20ClN3O — CID 17001099

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-2-26(19-8-4-3-5-9-19)22(28)16-27-21-11-7-6-10-20(21)25-23(27)17-12-14-18(24)15-13-17/h3-15H,2,16H2,1H3
InChIKeyHZOOQFYQNHXBCO-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.41
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (PubChem CID 17001099) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
PubChem CID17001099
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H20ClN3O/c1-2-26(19-8-4-3-5-9-19)22(28)16-27-21-11-7-6-10-20(21)25-23(27)17-12-14-18(24)15-13-17/h3-15H,2,16H2,1H3
InChIKeyHZOOQFYQNHXBCO-UHFFFAOYSA-N
XLogP5.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17001117
N-ethyl-2-[2-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-phenylacetamide
CID 19242222
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (CID 17001099) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is HZOOQFYQNHXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-2-26(19-8-4-3-5-9-19)22(28)16-27-21-11-7-6-10-20(21)25-23(27)17-12-14-18(24)15-13-17/h3-15H,2,16H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 389.89 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 17001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).